Electronic structure of NaCl-type compounds of the light actinides. III. The actinide nitride series
- 1 April 1984
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 14 (4) , 857-871
- https://doi.org/10.1088/0305-4608/14/4/010
Abstract
For pt.II see ibid., vol.14, p.653 (1984). The trend in the lattice parameters of the actinide nitride series is interpreted in terms of metallic 5f-5f and covalent cation 5f-anion 2p contributions to the calculated equations of state. The lattice parameters are obtained from self-consistent LMTO, RLMTO and spin-polarised LMTO calculations. Particularly large magnetovolume effects were found for NpN-AmN. Spin-orbit splitting also increased the calculated volumes of NpN-AmN and the density of states at the Fermi level was found to be predominantly of 5f5/2 character for the paramagnetic ground states of UN-AmN.Keywords
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